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65709-31-1 molecular structure
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2-(4-methylphenyl)piperazine

ChemBase ID: 66284
Molecular Formular: C11H16N2
Molecular Mass: 176.25814
Monoisotopic Mass: 176.13134852
SMILES and InChIs

SMILES:
N1C(CNCC1)c1ccc(cc1)C
Canonical SMILES:
Cc1ccc(cc1)C1NCCNC1
InChI:
InChI=1S/C11H16N2/c1-9-2-4-10(5-3-9)11-8-12-6-7-13-11/h2-5,11-13H,6-8H2,1H3
InChIKey:
FCNXNUWTNOYQME-UHFFFAOYSA-N

Cite this record

CBID:66284 http://www.chembase.cn/molecule-66284.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methylphenyl)piperazine
IUPAC Traditional name
2-(4-methylphenyl)piperazine
Synonyms
2-(4-Methylphenyl)piperazine
CAS Number
65709-31-1
MDL Number
MFCD05864675
PubChem SID
162103479
PubChem CID
21495223

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.5736423  LogD (pH = 7.4) -0.123892836 
Log P 1.5688547  Molar Refractivity 54.7728 cm3
Polarizability 21.824398 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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